Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.47 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.47 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11863386 | 0.84 | DHFR (0.58) | DHFRALDH1A1CYP3A4TSHRNFKB1 | |
| SCHEMBL10847549 | 0.81 | DHFR (0.42) | DHFRHTTALDH1A1CYP3A4TSHR | |
| SCHEMBL27407372 | 0.80 | CA2 (0.67) | DHFRHTTCA2PDE2AABCC4 | |
| SCHEMBL8549099 | 0.79 | DHFR (0.60) | DHFRHTT | |
| SCHEMBL1748366 | 0.78 | KDM4E (0.46) | DHFRHTTALDH1A1SMN1; SMN2PDE10A | |
| SCHEMBL8941118 | 0.75 | DHFR (0.45) | DHFRHTTALDH1A1LMNAACHE | |
| Diaveridine SCHEMBL29527560 | 0.74 | DHFR (1.00) | DHFRHTTNTRK1CSF1RNTRK3 | |
| Diaveridine SCHEMBL93896 | 0.74 | DHFR (1.00) | DHFRHTTNTRK1CSF1RNTRK3 | |
| SCHEMBL12682418 | 0.73 | CA2 (0.66) | DHFRHTTCA2ALDH1A1LMNA | |
| SCHEMBL10794425 | 0.73 | PLA2G7 (0.43) | LMNATSHRSMN1; SMN2PDE10A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5491234-A | Pyrimidine derivatives for enhancing antitumor activity | PFIZER INC. (US) | 1996-02-13 | — | — | US | disclosed |
| EP-0580753-B1 | PYRIMIDINE DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY | PFIZER (US) | 1995-03-01 | — | — | EP | disclosed |